2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride

C14H22ClFN2O2 — CID 119434358

IUPAC2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(Oc1ccccc1F)C(=O)NCCCNC.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-3-12(14(18)17-10-6-9-16-2)19-13-8-5-4-7-11(13)15;/h4-5,7-8,12,16H,3,6,9-10H2,1-2H3,(H,17,18);1H
InChIKeyOHIXLKLMJRWCRR-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.13
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride

2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride (PubChem CID 119434358) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
PubChem CID119434358
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(Oc1ccccc1F)C(=O)NCCCNC.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-3-12(14(18)17-10-6-9-16-2)19-13-8-5-4-7-11(13)15;/h4-5,7-8,12,16H,3,6,9-10H2,1-2H3,(H,17,18);1H
InChIKeyOHIXLKLMJRWCRR-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53286413
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
N-(2-amino-2-ethylbutyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119644039
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride (CID 119434358) is 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride is CCC(Oc1ccccc1F)C(=O)NCCCNC.Cl.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The InChIKey is OHIXLKLMJRWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-3-12(14(18)17-10-6-9-16-2)19-13-8-5-4-7-11(13)15;/h4-5,7-8,12,16H,3,6,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119434358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).